3-amino-2,7-dimethyloct-7-en-4-one

C10H19NO — CID 114477853

IUPAC3-amino-2,7-dimethyloct-7-en-4-one
SMILESC=C(C)CCC(=O)C(N)C(C)C
InChIInChI=1S/C10H19NO/c1-7(2)5-6-9(12)10(11)8(3)4/h8,10H,1,5-6,11H2,2-4H3
InChIKeyBYJXXTGQBYXTTB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds5

About 3-amino-2,7-dimethyloct-7-en-4-one

3-amino-2,7-dimethyloct-7-en-4-one (PubChem CID 114477853) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-amino-2,7-dimethyloct-7-en-4-one.

Molecular Properties

Compound Name3-amino-2,7-dimethyloct-7-en-4-one
PubChem CID114477853
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-amino-2,7-dimethyloct-7-en-4-one
SMILESC=C(C)CCC(=O)C(N)C(C)C
InChIInChI=1S/C10H19NO/c1-7(2)5-6-9(12)10(11)8(3)4/h8,10H,1,5-6,11H2,2-4H3
InChIKeyBYJXXTGQBYXTTB-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-amino-2,6-dimethylhept-1-en-3-one
CID 78358443
4,8-Diamino-2-methyloct-1-en-3-one
CID 87243554
(3S)-3-amino-2-methyl-5-methylidenenonan-4-one;hydrochloride
CID 87812199
(3S)-3-amino-2-methyl-5-methylidenenonan-4-one
CID 87812200
3-Amino-2-methyl-5-methylidenenonan-4-one;hydrochloride
CID 87812202
3-Amino-2-methyl-5-methylidenenonan-4-one
CID 87812203
4-Amino-2,6-dimethylhept-1-en-3-one
CID 88247765
(10R)-10-amino-11,11-dimethyl-7-methylidenedodecan-2-one
CID 88270806
(4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one
CID 88972149
(5S)-5-amino-2,6-dimethyloct-1-en-4-one
CID 89386562
5-Amino-5-cyclohexyl-3-methylidenepentan-2-one
CID 89708564
6-Amino-3,7-dimethylnon-7-en-4-one
CID 90949402

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,7-dimethyloct-7-en-4-one?
The IUPAC name of 3-amino-2,7-dimethyloct-7-en-4-one (CID 114477853) is 3-amino-2,7-dimethyloct-7-en-4-one.
What is the SMILES notation for 3-amino-2,7-dimethyloct-7-en-4-one?
The canonical SMILES for 3-amino-2,7-dimethyloct-7-en-4-one is C=C(C)CCC(=O)C(N)C(C)C.
What is the InChIKey of 3-amino-2,7-dimethyloct-7-en-4-one?
The InChIKey is BYJXXTGQBYXTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)5-6-9(12)10(11)8(3)4/h8,10H,1,5-6,11H2,2-4H3.
What are the key properties of 3-amino-2,7-dimethyloct-7-en-4-one?
3-amino-2,7-dimethyloct-7-en-4-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,7-dimethyloct-7-en-4-one is sourced from PubChem (CID 114477853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).